gem.fragment.Fragment.update_self_energy

Fragment.update_self_energy(T=0.0, move_pen=1e-06, use_Sz=False)

This function update the self-energy parameters Lambda and R

Parameters:

• T – float, optional. Temperature (default: 0.0).

• move_pen – float, optional. Penalty for moving the self-energy parameters (default: 1e-6).

• use_Sz – bool, optional. Whether to use Sz as a good quantum number (default: False).

Return:

R: ndarray. Updated self-energy parameter R. Lambda: ndarray. Updated self-energy parameter Lambda.